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4-Chloro-5-fluoroquinazoline

4-Chloro-5-fluoroquinazoline - CAS 16499-60-8

Catalog:	BB012155
Product Name:	4-Chloro-5-fluoroquinazoline
CAS:	16499-60-8
Synonyms:	4-chloro-5-fluoroquinazoline; 4-chloro-5-fluoroquinazoline

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-5-fluoroquinazoline
Description:	4-Chloro-5-fluoroquinazoline (CAS# 16499-60-8) is a useful research chemical.
Molecular Weight:	182.58
Molecular Formula:	C8H4ClFN2
Canonical SMILES:	C1=CC2=C(C(=C1)F)C(=NC=N2)Cl
InChI:	InChI=1S/C8H4ClFN2/c9-8-7-5(10)2-1-3-6(7)11-4-12-8/h1-4H
InChI Key:	NRVNUZHSKMEHOT-UHFFFAOYSA-N
Boiling Point:	284.9 °C at 760 mmHg
Density:	1.447 g/cm³
LogP:	2.42230

Publication Number	Title	Priority Date
US-2020352942-A1	Dosage forms and regimens for amino acid compounds	20190408
WO-2020210404-A1	Dosage forms and regimens for amino acid compounds	20190408
WO-2020163193-A1	Bicyclic ether o-glycoprotein-2-acetamido-2-deoxy-3-d-glucopyranosidase inhibitors	20190204
TW-202045501-A	Bicyclic ether o-glycoprotein-2-acetamido-2-de oxy-3-d-glucopyranosidase inhibitors	20190204
US-2020109141-A1	Amino acid compounds and methods of use	20181008

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.0047040
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	182.0047040
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6